2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-(3,4,5-trihydroxyoxan-2-yl)oxy-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

C35H34O16 — CID 162867827

About 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-(3,4,5-trihydroxyoxan-2-yl)oxy-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-(3,4,5-trihydroxyoxan-2-yl)oxy-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol (PubChem CID 162867827) has the molecular formula C35H34O16 and a molecular weight of 710.64 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-(3,4,5-trihydroxyoxan-2-yl)oxy-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol.

Molecular Properties

• Compound Name: 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-(3,4,5-trihydroxyoxan-2-yl)oxy-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
• PubChem CID: 162867827
• Molecular Formula: C35H34O16
• Molecular Weight: 710.64 g/mol
• Exact Mass: 710.18
• IUPAC Name: 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-(3,4,5-trihydroxyoxan-2-yl)oxy-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
• SMILES: Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(OC2OCC(O)C(O)C2O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2
• InChI: InChI=1S/C35H34O16/c36-14-7-21(42)26-24(8-14)49-33(13-2-4-17(38)20(41)6-13)30(46)28(26)27-25(50-35-31(47)29(45)23(44)11-48-35)10-18(39)15-9-22(43)32(51-34(15)27)12-1-3-16(37)19(40)5-12/h1-8,10,22-23,28-33,35-47H,9,11H2
• InChIKey: DGJNNJUJOOZUPZ-UHFFFAOYSA-N
• XLogP: 1.11
• TPSA: 279.68 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 16
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	710.64
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-(3,4,5-trihydroxyoxan-2-yl)oxy-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol?

The IUPAC name of 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-(3,4,5-trihydroxyoxan-2-yl)oxy-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol (CID 162867827) is 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-(3,4,5-trihydroxyoxan-2-yl)oxy-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol.

What is the SMILES notation for 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-(3,4,5-trihydroxyoxan-2-yl)oxy-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol?

The canonical SMILES for 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-(3,4,5-trihydroxyoxan-2-yl)oxy-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol is Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(OC2OCC(O)C(O)C2O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2.

What is the InChIKey of 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-(3,4,5-trihydroxyoxan-2-yl)oxy-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol?

The InChIKey is DGJNNJUJOOZUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34O16/c36-14-7-21(42)26-24(8-14)49-33(13-2-4-17(38)20(41)6-13)30(46)28(26)27-25(50-35-31(47)29(45)23(44)11-48-35)10-18(39)15-9-22(43)32(51-34(15)27)12-1-3-16(37)19(40)5-12/h1-8,10,22-23,28-33,35-47H,9,11H2.

What are the key properties of 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-(3,4,5-trihydroxyoxan-2-yl)oxy-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol?

2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-(3,4,5-trihydroxyoxan-2-yl)oxy-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol has a molecular weight of 710.64 g/mol, XLogP of 1.11, 5 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-(3,4,5-trihydroxyoxan-2-yl)oxy-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol is sourced from PubChem (CID 162867827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).